SCHEMBL10278723

SCHEMBL10278723

CC(=O)c1cc(Cl)c(C)c(C(=N)N)c1-c1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.43
PTPN11 Q06124 3/20 0.38
CSNK1E P49674 3/20 0.36
JAK2 O60674 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
HPGDS O60760 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
PARP1 P09874 1/20 0.34
MAP4K4 O95819 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F10 P00742 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
DHODH Q02127 1/20 0.34
SCN9A Q15858 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9928745 0.91 CSNK1E (0.41) NQO2PTPN11CSNK1EJAK2TRPM8
SCHEMBL15621481 0.84 TRPM8 (0.40) TRPM8ALDH1A1KMT2ASMN1; SMN2GPBAR1
SCHEMBL2013729 0.84 TRPM8 (0.38) NQO2PTPN11TRPM8ALDH1A1KMT2A
SCHEMBL9928695 0.81 TRPM8 (0.38) TRPM8ALDH1A1KMT2AGPBAR1DHODH
SCHEMBL10278679 0.80 PIK3CD (0.38) NQO2PTPN11CSNK1EALDH1A1F10
SCHEMBL18935627 0.79 RELA (0.38) TRPM8ALDH1A1KMT2ASMN1; SMN2DHODH
SCHEMBL22048112 0.79 TRPM8 (0.36) TRPM8ALDH1A1KMT2ASMN1; SMN2DHODH
SCHEMBL9929195 0.78 POLB (0.33) DHODH
SCHEMBL9928939 0.78 DHODH (0.36) PTPN11TRPM8ALDH1A1KMT2AGPBAR1
SCHEMBL2014204 0.78 PIK3CD (0.44) TRPM8ALDH1A1KMT2ADHODH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3660016-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Holdings Corporation (US) 2020-06-03 EP disclosed
EP-2655374-B1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE HOLDINGS CORP (US) 2019-10-23 EP disclosed
WO-2012087881-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-06-28 WO disclosed